SCHEMBL2010699

SCHEMBL2010699

Cc1cccc(C(F)(F)COCCCCCCNCC(O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.62
ADRB3 P13945 13/20 0.62
ADRB1 P08588 13/20 0.62
SLC6A2 P23975 2/20 0.59
HTR2A P28223 2/20 0.59
SLC6A4 P31645 2/20 0.59
ADRA1A P35348 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTR1A P08908 1/20 0.59
CHRM5 P08912 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
DRD4 P21917 1/20 0.59
FPR3 P25089 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2C P28335 1/20 0.59
GPR183 P32249 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL523404 1.00 ADRB2 (0.62) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL5028852 1.00 ADRB2 (0.62) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL2616308 0.91 ADRB2 (0.51) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL30510394 0.90 ADRB2 (0.69) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL185382 0.90 ADRB2 (0.69) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL28335500 0.90 ADRB2 (0.69) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL185383 0.90 ADRB2 (0.69) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL28879233 0.90 ADRB2 (0.58) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL29798902 0.90 ADRB2 (0.58) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL186254 0.90 ADRB2 (0.58) ADRB2ADRB3ADRB1SLC6A2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US claimed
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US claimed
EP-1885684-B9 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-04-25 EP claimed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP claimed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP claimed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US claimed
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 US disclosed
US-9914735-B2 Heteroaryl Syk inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-13 US disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-20140371226-A1 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLINE-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECANE-5-ONE DIMALEATE, USE THEREOF AS A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-18 US disclosed
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP disclosed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1885684-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2008-02-13 EP disclosed
WO-2006122788-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2006-11-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 ADRB2 73/4885ADRB3 42/4885ADRB1 46/4885
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 ADRB2 400/4885ADRB3 451/4885ADRB1 603/4885
US-20140371226-A1 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLINE-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECANE-5-ONE DIMALEATE, USE THEREOF AS A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF GRK5, KLK3, GRK3 ADRB2 37/4885ADRB3 9/4885ADRB1 10/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB3 4/4885ADRB1 3/4885
US-20180072744-A1 HETEROARYL SYK INHIBITORS SYK, BTK, CD40 ADRB2 1410/4885ADRB3 1216/4885ADRB1 887/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB3 4/4885ADRB1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.